Dataset

BUCLIZINE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003070 contains the MS mass spectrum of BUCLIZINE with the InChIkey MOYGZHXDRJNJEP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3
SMILES C(C3)N(CCN(Cc(c4)ccc(c4)C(C)(C)C)3)C(c(c2)cccc2)c(c1)ccc(c1)Cl
InChI Key MOYGZHXDRJNJEP-UHFFFAOYSA-N
Molecular Formula C28H33ClN2
Exact Mass 432.233 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP003070
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:42.071595
MetadataModified 2024-01-11T15:56:42.268986
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1201271 ChEMBL
DB00354 DrugBank
C07777 KEGG Ligand
3205 ChEBI
HMDB0014498 Human Metabolome Database
BUCLIZINE rxnorm
UFN4445AF2 FDA SRS
DTXSID0022694 EPA CompTox Dashboard
BUCLIZINE HYDROCHLORIDE rxnorm
CB9111794 ChemicalBook
416 DrugCentral
0C94V6X681 FDA SRS
1178B2VD9B FDA SRS
SCHEMBL27855 SureChEMBL
7134 Guide to Pharmacology
J4.623J Nikkaji
6729 PubChem
PD010084 ProbesDrugs
82-95-1 ACToR
PA164748223 PharmGKB
14982780 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.